5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acid
CAS Registry Number®
89915-54-8
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CAS Name
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acidMolecular Formula
C29H32O17Molecular Mass
652.55Cite this Page
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=89915-54-8 (retrieved ) (CAS RN: 89915-54-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39)/t9-,19-,21+,22+,23-,24+,25-,26+,28-,29-/m0/s1
InChIKey
InChIKey=CFWKEIXHBVWGIW-SNCHYJEASA-N
SMILES
O=C1C=2C(OC(=C1)C3=CC(OC)=C(O)C(OC)=C3)=CC(O[C@@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)O4)=CC2O
Canonical SMILES
O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=C(OC)C(O)=C(OC)C4)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O
Other Names for this Substance
- α-D-Galactopyranosiduronic acid, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
- 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acid
Deleted or Replaced CAS Registry Numbers
100835-81-2, 101462-45-7